N-{[1-(furan-2-ylmethyl)pyrrolidin-3-yl]methyl}-5-methylimidazo[1,2-a]pyridine-2-carboxamide

• ChemBase ID: 385970
• Molecular Formular: C19H22N4O2
• Molecular Mass: 338.40358
• Monoisotopic Mass: 338.17427596
• SMILES: c1(nc2n(c1)c(ccc2)C)C(=O)NCC1CN(Cc2occc2)CC1
• Canonical SMILES: O=C(c1nc2n(c1)c(C)ccc2)NCC1CCN(C1)Cc1ccco1
• InChI: InChI=1S/C19H22N4O2/c1-14-4-2-6-18-21-17(13-23(14)18)19(24)20-10-15-7-8-22(11-15)12-16-5-3-9-25-16/h2-6,9,13,15H,7-8,10-12H2,1H3,(H,20,24)
• InChIKey: XQJVGRXTKCDSLW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[1-(furan-2-ylmethyl)pyrrolidin-3-yl]methyl}-5-methylimidazo[1,2-a]pyridine-2-carboxamide
• IUPAC Traditional name: N-{[1-(furan-2-ylmethyl)pyrrolidin-3-yl]methyl}-5-methylimidazo[1,2-a]pyridine-2-carboxamide
• Synonyms: N-{[1-(2-furylmethyl)pyrrolidin-3-yl]methyl}-5-methylimidazo[1,2-a]pyridine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.679374
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.5072464
• LogD (pH = 7.4): 0.26139197
• Log P: 1.2883922
• Molar Refractivity: 97.262 cm^3
• Polarizability: 36.199806 Å^3
• Polar Surface Area: 62.78 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.89
• LOG S: -3.28
• Polar Surface Area: 62.78 Å^2
• Rotatable Bonds: 5